Rotraxate
[CAS# 92071-51-7]

Identification

• Name: Rotraxate
• Synonyms: 3-[4-[[4-(Aminomethyl)Cyclohexyl]-Oxomethyl]Phenyl]Propanoic Acid; 3-[4-[4-(Aminomethyl)Cyclohexanecarbonyl]Phenyl]Propionic Acid; 3-[4-[4-(Aminomethyl)Cyclohexyl]Carbonylphenyl]Propanoic Acid
• Molecular Formula: C₁₇H₂₃NO₃
• Molecular Weight: 289.37
• CAS Registry Number: 92071-51-7
• SMILES: C2=C(C(C1CCC(CN)CC1)=O)C=CC(=C2)CCC(O)=O
• InChI: 1S/C17H23NO3/c18-11-13-3-8-15(9-4-13)17(21)14-6-1-12(2-7-14)5-10-16(19)20/h1-2,6-7,13,15H,3-5,8-11,18H2,(H,19,20)
• InChIKey: NVBZUCIQNYPGCI-UHFFFAOYSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 488.385°C at 760 mmHg (Cal.)
• Flash point: 249.167°C (Cal.)